phenoxycarbonyloxymethyl 3-(acetyloxymethyl)-7-(2-azidoethanoylamino)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: phenoxycarbonyloxymethyl 3-(acetyloxymethyl)-7-(2-azidoethanoylamino)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: phenoxycarbonyloxymethyl 3-(acetoxymethyl)-7-[(2-azidoacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-(acetyloxymethyl)-7-[(2-azido-1-oxoethyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [oxo(phenoxy)methoxy]methyl ester IUPAC Name: phenoxycarbonyloxymethyl 3-(acetyloxymethyl)-7-[(2-azidoacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-(acetoxymethyl)-7-[(2-azidoacetyl)amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid carbophenoxyoxymethyl ester Formula: C20H19N5O9S MolecularWeight: 505.45796

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CN=[N+]=[N-])SC1)C(=O)OCOC(=O)OC3=CC=CC=C3

Isomeric SMILES

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CN=[N+]=[N-])SC1)C(=O)OCOC(=O)OC3=CC=CC=C3

InChI

InChI=1S/C20H19N5O9S/c1-11(26)31-8-12-9-35-18-15(23-14(27)7-22-24-21)17(28)25(18)16(12)19(29)32-10-33-20(30)34-13-5-3-2-4-6-13/h2-6,15,18H,7-10H2,1H3,(H,23,27)